2-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]acetic acid Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(S2)SCC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(S2)SCC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C16H13N3O2S2/c20-14(21)9-11-4-6-12(7-5-11)10-22-16-19-18-15(23-16)13-3-1-2-8-17-13/h1-8H,9-10H2,(H,20,21)